2-[2-cyanoethyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl 2-methylpropanoate

Systemtic Name: 2-[2-cyanoethyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl 2-methylpropanoate Openeye Name: 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azo-anilino]ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azo-anilino]ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-16(2)21(27)30-15-14-25(13-3-12-22)19-8-4-17(5-9-19)23-24-18-6-10-20(11-7-18)26(28)29/h4-11,16H,3,13-15H2,1-2H3